Structure & Deep Data of Picoperine (C19H25N3)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Picoperine molecule contains a total of 49 bond(s). There are 24 non-H bond(s), 12 multiple bond(s), 6 rotatable bond(s), 12 aromatic bond(s), 3 six-membered ring(s), 1 tertiary amine(s) (aliphatic), 1 tertiary amine(s) (aromatic), and 1 Pyridine(s). Images of the chemical structure of Picoperine are given below:

The 2D chemical structure image of Picoperine is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Picoperine are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of Picoperine is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of Picoperine. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Picoperine Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Picoperine

  The SMILES string of Picoperine is C1CCN(CC1)CCN(Cc2ccccn2)c3ccccc3, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Picoperine.

• Structure Data File (SDF/MOL File) of Picoperine

  The structure data file (SDF/MOL File) of Picoperine is available for download in the SDF page of Picoperine, which provides the information about the atoms, bonds, connectivity and coordinates of Picoperine. The Picoperine structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of Picoperine

  The molecular formula of Picoperine is available in chemical formula page of Picoperine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of Picoperine

  The molecular weight of Picoperine is available in molecular weight page of Picoperine, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of Picoperine

  The Picoperine compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Picoperine including the various registry numbers, if available:

  • 2-Pyridinemethanamine, N-phenyl-N-(2-(1-piperidinyl)ethyl)- (9CI)
  • 2-Pyridinemethanamine, N-phenyl-N-(2-(1-piperidinyl)ethyl)-
  • N-(2-piperidin-1-ylethyl)-N-(pyridin-2-ylmethyl)aniline
  • 24699-40-9 (hydrochloride)
  • YK3XA0K1O1
  • Picoperine [INN]
  • Picoperinum
  • Picoperina
  • Piperidine, 1-(2-(N-(2-pyridylmethyl)anilino)ethyl)-
  • N-2-Pyridylmethyl-N-phenyl-N-2-piperidinoethylamine

  • 1-(2-(N-(2-Pyridylmethyl)anilino)ethyl)piperidine
  • AH-3 (Obs)
  • Picoperina [INN-Spanish]
  • 21755-66-8
  • Picoperinum [INN-Latin]
  • TAT-3
  • Picoperidamine
  • Picoperine

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Picoperine Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Picoperine?
C19H25N3
How many atoms and what are the elements included the Picoperine molecule?
47 atom(s) - 25 Hydrogen atom(s), 19 Carbon atom(s), and 3 Nitrogen atom(s)
How many chemical bonds and what kind of bonds are included the Picoperine structure?
49 bond(s) - 24 non-H bond(s), 12 multiple bond(s), 6 rotatable bond(s), 12 aromatic bond(s), 3 six-membered ring(s), 1 tertiary amine(s) (aliphatic), 1 tertiary amine(s) (aromatic), and 1 Pyridine(s)
What’s the Picoperine’s molecular weight?
295.4219 g/mol
What’s the SMILES code of Picoperine?
C1CCN(CC1)CCN(Cc2ccccn2)c3ccccc3
What’s the InChI string of Picoperine?
InChI=1S/C19H25N3/c1-3-10-19(11-4-1)22(17-18-9-5-6-12-20-18)16-15-21-13-7-2-8-14-21/h1,3-6,9-12H,2,7-8,13-17H2
What’s the InChIKey code of Picoperine?
MVMXJBMAGBRAHD-UHFFFAOYSA-N

50 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).